[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl] 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoate CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)propanoic acid [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propionic acid [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)OC(C)C(=O)NCC=C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)O[C@@H](C)C(=O)NCC=C

InChI

InChI=1S/C20H25N3O3/c1-5-13-21-20(25)16(4)26-19(24)12-11-18-14(2)22-23(15(18)3)17-9-7-6-8-10-17/h5-10,16H,1,11-13H2,2-4H3,(H,21,25)/t16-/m0/s1